2-Ethoxyacetyl chloride - ≥97% , CAS No.14077-58-8

CAS: 14077-58-8 Cat. No.: E293992 분자식: C₄H₇ClO₂ 분자량: 122.55 EC 번호: 237-930-3

등급 & 순도 ≥97%

Synonyms

2-ethoxyacetyl chloride|Ethoxyacetyl chloride|14077-58-8|Acetyl chloride, 2-ethoxy-|ethoxy-acetyl chloride|Ethoxyacetylchloride|2-Ethoxyacetylchloride|EINECS 237-930-3|Ethoxy acetyl chloride|ethoxyacetic acid chloride|(2-Ethoxy)-acetyl chloride|SCHEMBL316

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

It is employed in fine chemical syntheses and used as pharmaceutical intermediates. A trace of cis-ethoxyacetamide was also detected and isolated with an authentic sample prepared from the reaction of cis-3-amino-6-methylchroman-4-01 (2) with 2-ethoxyacetyl chloride.

사양

동의어

2-ethoxyacetyl chloride | Ethoxyacetyl chloride | 14077-58-8 | Acetyl chloride, 2-ethoxy- | ethoxy-acetyl chloride | Ethoxyacetylchloride | 2-Ethoxyacetylchloride | EINECS 237-930-3 | Ethoxy acetyl chloride | ethoxyacetic acid chloride | (2-Ethoxy)-acetyl chloride | SCHEMBL316

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

508808023

정식 스마일

CCOCC(=O)Cl

IUPAC Name

2-ethoxyacetyl chloride

InChIKey

ZPMWWAIBJJFPPQ-UHFFFAOYSA-N

INCHI

1S/C4H7ClO2/c1-2-7-3-4(5)6/h2-3H2,1H3

이성체 SMILES

CCOCC(=O)Cl

분자량

122.55

Reaxy-Rn

1742995

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742995&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ether - Dialkyl ether - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 감도: heat sensitive
• 분자량: 122.550 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 122.013 Da
• Monoisotopic Mass: 122.013 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1